DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:17 UTC
Update Date	2025-03-21 18:31:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00084418
Frequency	34.0
Structure
Chemical Formula	C₁₃H₁₉N₅O₃
Molecular Mass	293.1488
SMILES	N=C(N)NCCCC(NC(=O)c1ccc(N)cc1)C(=O)O
InChI Key	QGIWOXMHDCLKPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	arginine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hippuric acids and derivatives hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid guanidine imine benzoyl benzamide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboximidamide carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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